4-bromododec-11-ene-1,10-diol

C12H23BrO2 — CID 91368152

IUPAC4-bromododec-11-ene-1,10-diol
SMILESC=CC(O)CCCCCC(Br)CCCO
InChIInChI=1S/C12H23BrO2/c1-2-12(15)9-5-3-4-7-11(13)8-6-10-14/h2,11-12,14-15H,1,3-10H2
InChIKeyDGGIAFOGNHEXMY-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.02
Rot. Bonds10

About 4-bromododec-11-ene-1,10-diol

4-bromododec-11-ene-1,10-diol (PubChem CID 91368152) has the molecular formula C12H23BrO2 and a molecular weight of 279.22 g/mol. Its IUPAC name is 4-bromododec-11-ene-1,10-diol.

Molecular Properties

Compound Name4-bromododec-11-ene-1,10-diol
PubChem CID91368152
Molecular FormulaC12H23BrO2
Molecular Weight279.22 g/mol
Exact Mass278.09
IUPAC Name4-bromododec-11-ene-1,10-diol
SMILESC=CC(O)CCCCCC(Br)CCCO
InChIInChI=1S/C12H23BrO2/c1-2-12(15)9-5-3-4-7-11(13)8-6-10-14/h2,11-12,14-15H,1,3-10H2
InChIKeyDGGIAFOGNHEXMY-UHFFFAOYSA-N
XLogP3.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromododec-11-ene-1,10-diol?
The IUPAC name of 4-bromododec-11-ene-1,10-diol (CID 91368152) is 4-bromododec-11-ene-1,10-diol.
What is the SMILES notation for 4-bromododec-11-ene-1,10-diol?
The canonical SMILES for 4-bromododec-11-ene-1,10-diol is C=CC(O)CCCCCC(Br)CCCO.
What is the InChIKey of 4-bromododec-11-ene-1,10-diol?
The InChIKey is DGGIAFOGNHEXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrO2/c1-2-12(15)9-5-3-4-7-11(13)8-6-10-14/h2,11-12,14-15H,1,3-10H2.
What are the key properties of 4-bromododec-11-ene-1,10-diol?
4-bromododec-11-ene-1,10-diol has a molecular weight of 279.22 g/mol, XLogP of 3.02, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromododec-11-ene-1,10-diol is sourced from PubChem (CID 91368152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).